Re: [AMBER] color images from 2drms

From: M. L. Dodson <activesitedynamics.comcast.net>
Date: Thu, 20 May 2010 11:03:24 -0500

On May 20, 2010, at 10:44 AM, Ilyas Yildirim wrote:

> I do not know if anyone else suggested it but you can create some colorful 2D plots in mathematica, too, if you have installed in a machine. I think the function '2Dcontourplot' or something similar.
>
> Ilyas Yildirim, Ph.D.
> ---------------------------------------------------------------
> = Hutchison Hall B#10 - Department of Chemistry =
> = - University of Rochester =
> = 585-275-6766 (office) - =
> = http://www.pas.rochester.edu/~yildirim/ =
> ---------------------------------------------------------------
>

There are many programs running on Linux/Unix that will produce color contour plots. Free ones off the top of my head: Grace, Gri, R, Gnuplot, ... Plus several commercial programs that cost $$$. Grace requires X, not a problem on any flavor of Unix, and will work fine on Mac OSX, but is "not esthetically pleasing to me" there so I don't use it. I prefer a scripting approach, so I am a fan of Gri. I tried R recently, did not need the statistics, and programming it was just too weird for me, so gave it up. I used Gnuplot before I found Gri.

I think the take home lesson is that the OP will need to learn SOME very capable table-data-intensive graphics program (and I don't mean Excel). Any of them will do what is desired, I believe. Any recommendation is almost for sure personal preference.

Bud Dodson

> On Thu, 20 May 2010, InSuk Joung wrote:
>
>> Is this a question to my perl script? If so, you need a 'raw' file not a
>> 'ps' file. Choose 'raw' format when you dump out the result.
>> For example,
>> 2drms out 2drms.dat raw your_mask
>>
>> 2010/5/20 Rebeca García Fandiño <regafan.hotmail.com>
>>
>>>
>>> Hi,
>>> Thanks for your answer. I am using Linux. I have tried your suggestions,
>>> but the problem is that the .ps file from 2drms is already in black & white.
>>> How could I get a .ps file from 2drms in color?
>>> Thanks a lot for your help.
>>> Best wishes,
>>> Rebeca.
>>>
>>>> Date: Thu, 13 May 2010 10:16:14 -0400
>>>> Subject: Re: [AMBER] color images from 2drms
>>>> From: jason.swails.gmail.com
>>>> To: amber.ambermd.org
>>>>
>>>> 2010/5/13 Rebeca García Fandiño <regafan.hotmail.com>
>>>>
>>>>>
>>>>> Hi,
>>>>> I am trying to use the 2drms option in ptraj "2drms out 2drms_out ps",
>>> but
>>>>> when I transform the 2drms_out.ps
>>>>
>>>>
>>>> Is 2drms_out.ps in color? What OS are you using? If the PS is in color
>>> and
>>>> you're using Ubuntu (or some other linux, though my suggestion will be
>>>> Ubuntu-specific), you may try the following:
>>>>
>>>> Install cups-pdf and evince (evince should be installed on your machine
>>> by
>>>> default).
>>>>
>>>> sudo apt-get install cups-pdf
>>>>
>>>> Open the postscript up in evince and print it out using the PDF printer.
>>>> This will put the file in a PDF directory located in your home directory
>>>> (~/PDF). There may be far better ways of doing this, but I'd imagine
>>> this
>>>> would work for me (i've done similar things in the past)
>>>>
>>>> Good luck!
>>>> Jason
>>>>
>>>>
>>>>> to pdf with ps2pdf I get only black and white images. Does anybody know
>>> how
>>>>> can I get color images?
>>>>> Thank you very much in advance,
>>>>>
>>>>> Rebeca Garcia.
>>>>>
>>>>>
>>>>>
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>>>>
>>>>
>>>>
>>>> --
>>>> Jason M. Swails
>>>> Quantum Theory Project,
>>>> University of Florida
>>>> Ph.D. Graduate Student
>>>> 352-392-4032
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>>
>>
>>
>> --
>> Best,
>> InSuk Joung
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-- 
M. L. Dodson
Business email: activesitedynamics-at-comcast-dot-net
Personal email: mldodson-at-comcast-dot-net
Phone: eight_three_two-five_63-386_one
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Received on Thu May 20 2010 - 09:30:03 PDT
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